SCHEMBL3321022

SCHEMBL3321022

CN(C)Cc1c[nH]c(N)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BACE1 P56817 1/20 0.31
ENPP2 Q13822 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3316878 0.83 MEN1 (0.37) MEN1ALDH1A1KMT2A
SCHEMBL3319799 0.82 CHRNB2 (0.33) BACE1
SCHEMBL3319227 0.80 KDM4E (0.35) KDM4EMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL18157883 0.77 CYP2D6 (0.35) CYP2D6CYP1A2KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7957510 0.74
SCHEMBL18955199 0.73
SCHEMBL5924432 0.72
SCHEMBL9460184 0.71
SCHEMBL16579802 0.71 BACE1 (0.33) BACE1
SCHEMBL1452385 0.71

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210000951-A1 COMBINATION THERAPIES NOVARTIS AG (CH) 2021-01-07 US claimed
EP-3662903-A2 COMBINATION THERAPIES Novartis AG (CH) 2020-06-10 EP claimed
EP-3200775-A2 COMBINATION THERAPIES Novartis AG (CH) 2017-08-09 EP claimed
US-20170209574-A1 COMBINATION THERAPIES NOVARTIS AG (CH) 2017-07-27 US claimed
WO-2016054555-A2 COMBINATION THERAPIES NOVARTIS AG (CH) 2016-04-07 WO claimed
EP-2282995-B1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-08-26 EP claimed
US-8815901-B2 Quinoline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-08-26 US claimed
US-8674099-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-03-18 US claimed
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2013-12-05 US claimed
US-8536175-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-09-17 US claimed
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US claimed
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US claimed
US-8273882-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2012-09-25 US claimed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 WO claimed
CN-118236374-A Methods of modulating TIGIT and PD-1 signaling pathways using 1,2, 4-oxadiazole compounds 奥瑞基尼肿瘤有限公司 2024-06-25 CN disclosed
US-12005045-B2 Method of modulating TIGIT and PD-1 signalling pathways using 1,2,4-oxadiazole compounds AURIGENE ONCOLOGY LIMITED (IN) 2024-06-11 US disclosed
US-20240122904-A1 METHOD OF MODULATING TIGIT AND PD-1 SIGNALLING PATHWAYS USING 1,2,4-OXADIAZOLE COMPOUNDS AURIGENE ONCOLOGY LIMITED (IN) 2024-04-18 US disclosed
US-8273882-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2012-09-25 US disclosed
US-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives NOVARTIS AG 2010-04-29 US disclosed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives ABL1, NQO2, MAP4K5 CYP2D6 192/4885CYP1A2 425/4885TTK 1213/4885
US-20240122904-A1 METHOD OF MODULATING TIGIT AND PD-1 SIGNALLING PATHWAYS USING 1,2,4-OXADIAZOLE COMPOUNDS PDCD1, CD274, PDCD1LG2 CYP2D6 3448/4885CYP1A2 3154/4885TTK 391/4885
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK CYP2D6 480/4885CYP1A2 993/4885TTK 447/4885
US-20170209574-A1 COMBINATION THERAPIES CD274, CD40, CD58 CYP2D6 4276/4885CYP1A2 4785/4885TTK 517/4885
US-12005045-B2 Method of modulating TIGIT and PD-1 signalling pathways using 1,2,4-oxadiazole compounds PDCD1, CD274, PDCD1LG2 CYP2D6 3448/4885CYP1A2 3154/4885TTK 391/4885
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK CYP2D6 480/4885CYP1A2 993/4885TTK 447/4885
US-20210000951-A1 COMBINATION THERAPIES BRCA1, TP53, VHL CYP2D6 3170/4885CYP1A2 3503/4885TTK 905/4885
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK CYP2D6 480/4885CYP1A2 993/4885TTK 447/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.